Glycoside
GD128453
Name:
7-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[3-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-4-carboxylic acidFormula:
C31H40O17Smiles:
CC1C(OC(=O)C=Cc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)CC2C(C(=O)O)=COC(OC3OC(CO)C(O)C(O)C3O)C21Aglycone:
CC1C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.8 | Num_rotatable_bonds: | 10 |
| MolWt: | 684.64 | Num_heavy_atoms: | 48 |
| TPSA: | 271.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD44174
Formula: C19H20O7
Smiles:
CC1C(OC(=O)C=Cc2ccc(O)cc2)CC2C(C(=O)O)=COC(O)C21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.37 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.36 | Num_heavy_atoms: | 26 |
| TPSA: | 113.29 | NumAromaticRings: | 1 |
